2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine

C14H20N4S — CID 62797615

IUPAC2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
SMILESCc1nc(Cc2nccc(CNCC(C)C)n2)cs1
InChIInChI=1S/C14H20N4S/c1-10(2)7-15-8-12-4-5-16-14(18-12)6-13-9-19-11(3)17-13/h4-5,9-10,15H,6-8H2,1-3H3
InChIKeyBUMBTSDARVDQFT-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.58
Rot. Bonds6

About 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 62797615) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID62797615
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
SMILESCc1nc(Cc2nccc(CNCC(C)C)n2)cs1
InChIInChI=1S/C14H20N4S/c1-10(2)7-15-8-12-4-5-16-14(18-12)6-13-9-19-11(3)17-13/h4-5,9-10,15H,6-8H2,1-3H3
InChIKeyBUMBTSDARVDQFT-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 62797614
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 55119707
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 55228442
N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
CID 107156018
N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267638
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
CID 94607488
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine (CID 62797615) is 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine is Cc1nc(Cc2nccc(CNCC(C)C)n2)cs1.
What is the InChIKey of 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is BUMBTSDARVDQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10(2)7-15-8-12-4-5-16-14(18-12)6-13-9-19-11(3)17-13/h4-5,9-10,15H,6-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62797615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).